CID 43251711

874841-91-5

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)CCN
InChI
InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-7-4-6-14(8-5-13)9-10-15/h4-10,13H2,1-3H3
InChIKey
KCRLSEQCDXGSGE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 157.1
[M+Na]+ 266.18389 162.6
[M+NH4]+ 261.22849 161.8
[M+K]+ 282.15783 160.7
[M-H]- 242.18739 155.8
[M+Na-2H]- 264.16934 159.0
[M]+ 243.19412 157.1
[M]- 243.19522 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.